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DocumentationIdentifier: MM295034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295034 |
| SMILES |
CCNCC=C(C)C(C)=O
|
| InChIKey |
BPZJAKJZWWXYRT-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62882
Similarity: 0.8911
Similarity to MM62882
| Tanimoto metric | 0.8911 |
|---|---|
| Cosine metric | 0.944 |
| Dice metric | 0.9424 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295575
Similarity: 0.8
Similarity to MM295575
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437790
Similarity: 0.7706
Similarity to MM437790
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8705 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
